N-ethyl-2-pentylsulfonylpentan-3-amine

C12H27NO2S — CID 107758688

IUPACN-ethyl-2-pentylsulfonylpentan-3-amine
SMILESCCCCCS(=O)(=O)C(C)C(CC)NCC
InChIInChI=1S/C12H27NO2S/c1-5-8-9-10-16(14,15)11(4)12(6-2)13-7-3/h11-13H,5-10H2,1-4H3
InChIKeyCCYMNPGIISZNTD-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.37
Rot. Bonds9

About N-ethyl-2-pentylsulfonylpentan-3-amine

N-ethyl-2-pentylsulfonylpentan-3-amine (PubChem CID 107758688) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-ethyl-2-pentylsulfonylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-pentylsulfonylpentan-3-amine
PubChem CID107758688
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-2-pentylsulfonylpentan-3-amine
SMILESCCCCCS(=O)(=O)C(C)C(CC)NCC
InChIInChI=1S/C12H27NO2S/c1-5-8-9-10-16(14,15)11(4)12(6-2)13-7-3/h11-13H,5-10H2,1-4H3
InChIKeyCCYMNPGIISZNTD-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pentylsulfonylbutan-2-amine
CID 107758703
1-butan-2-ylsulfonylpentane
CID 159645630
N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine
CID 107759245
2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine
CID 64647490
1-propan-2-ylsulfonylhexane
CID 59079246
methyl 2-methyl-3-pentylsulfonylbutanoate
CID 107746575
1-pentan-3-ylsulfonyldodecane
CID 90977253
2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine
CID 64676326
4-butylsulfonyl-N-ethylpentan-2-amine
CID 64704591
N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine
CID 106496112
3-(ethylamino)pentane-2-thiol
CID 55286178
N-ethyl-5-methyltridecan-6-amine
CID 114246331

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pentylsulfonylpentan-3-amine?
The IUPAC name of N-ethyl-2-pentylsulfonylpentan-3-amine (CID 107758688) is N-ethyl-2-pentylsulfonylpentan-3-amine.
What is the SMILES notation for N-ethyl-2-pentylsulfonylpentan-3-amine?
The canonical SMILES for N-ethyl-2-pentylsulfonylpentan-3-amine is CCCCCS(=O)(=O)C(C)C(CC)NCC.
What is the InChIKey of N-ethyl-2-pentylsulfonylpentan-3-amine?
The InChIKey is CCYMNPGIISZNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-5-8-9-10-16(14,15)11(4)12(6-2)13-7-3/h11-13H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2-pentylsulfonylpentan-3-amine?
N-ethyl-2-pentylsulfonylpentan-3-amine has a molecular weight of 249.42 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pentylsulfonylpentan-3-amine is sourced from PubChem (CID 107758688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).